4-N-[2-(2-ethenylidenecyclohexyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine

C18H18N6S — CID 123795314

IUPAC4-N-[2-(2-ethenylidenecyclohexyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine
SMILESC=C=C1CCCCC1c1nc2ccnc(Nc3cc(N)ncn3)c2s1
InChIInChI=1S/C18H18N6S/c1-2-11-5-3-4-6-12(11)18-23-13-7-8-20-17(16(13)25-18)24-15-9-14(19)21-10-22-15/h7-10,12H,1,3-6H2,(H3,19,20,21,22,24)
InChIKeyYWFQHYILJBLROO-UHFFFAOYSA-N
MW350.45 g/mol
LogP4.18
Rot. Bonds3

About 4-N-[2-(2-ethenylidenecyclohexyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine

4-N-[2-(2-ethenylidenecyclohexyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine (PubChem CID 123795314) has the molecular formula C18H18N6S and a molecular weight of 350.45 g/mol. Its IUPAC name is 4-N-[2-(2-ethenylidenecyclohexyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(2-ethenylidenecyclohexyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine
PubChem CID123795314
Molecular FormulaC18H18N6S
Molecular Weight350.45 g/mol
Exact Mass350.13
IUPAC Name4-N-[2-(2-ethenylidenecyclohexyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine
SMILESC=C=C1CCCCC1c1nc2ccnc(Nc3cc(N)ncn3)c2s1
InChIInChI=1S/C18H18N6S/c1-2-11-5-3-4-6-12(11)18-23-13-7-8-20-17(16(13)25-18)24-15-9-14(19)21-10-22-15/h7-10,12H,1,3-6H2,(H3,19,20,21,22,24)
InChIKeyYWFQHYILJBLROO-UHFFFAOYSA-N
XLogP4.18
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2-ethenylidenecyclohexyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(2-ethenylidenecyclohexyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine (CID 123795314) is 4-N-[2-(2-ethenylidenecyclohexyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(2-ethenylidenecyclohexyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(2-ethenylidenecyclohexyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine is C=C=C1CCCCC1c1nc2ccnc(Nc3cc(N)ncn3)c2s1.
What is the InChIKey of 4-N-[2-(2-ethenylidenecyclohexyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine?
The InChIKey is YWFQHYILJBLROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6S/c1-2-11-5-3-4-6-12(11)18-23-13-7-8-20-17(16(13)25-18)24-15-9-14(19)21-10-22-15/h7-10,12H,1,3-6H2,(H3,19,20,21,22,24).
What are the key properties of 4-N-[2-(2-ethenylidenecyclohexyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine?
4-N-[2-(2-ethenylidenecyclohexyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine has a molecular weight of 350.45 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2-ethenylidenecyclohexyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 123795314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).